SCHEMBL17844685

SCHEMBL17844685

NC(=O)c1cc2cc(Br)cc(Cl)c2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
ICAM1 P05362 3/20 0.40
SELE P16581 3/20 0.40
VCAM1 P19320 3/20 0.40
F2 P00734 1/20 0.39
PTPN2 P17706 1/20 0.38
CDK8 P49336 6/20 0.37
ROCK1 Q13464 5/20 0.37
CLK4 Q9HAZ1 5/20 0.37
DAPK3 O43293 4/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17844690 0.85 DAO (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17844680 0.80 HDAC1 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31651689 0.77 HDAC3 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24928227 0.69 PTPN2 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19964501 0.69 LMNA (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30980400 0.69 LMNA (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13295842 0.68 CHRNA1 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17173223 0.68 DAO (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27623475 0.68 NMT1 (0.40) MAP2K1LMNA
SCHEMBL31550028 0.67 PTPN2 (0.38) ICAM1SELEVCAM1PTPN2CDK8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10858347-B2 Multicyclic compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2020-12-08 US disclosed
US-10858347-B2 Multicyclic compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2020-12-08 US disclosed
US-20190016710-A1 MULTICYCLIC COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. 2019-01-17 US disclosed
US-20190016710-A1 MULTICYCLIC COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. 2019-01-17 US disclosed
US-20180244660-A1 CYCLOPROPYLDERIVATIVES AND THEIR USE AS KINASE INHIBITORS Karyopharm Therapeutics Inc. 2018-08-30 US disclosed
US-20170369470-A1 Cyclic Compounds and Uses Thereof Karyopharm Therapeutics Inc. 2017-12-28 US disclosed
US-20170369470-A1 Cyclic Compounds and Uses Thereof Karyopharm Therapeutics Inc. 2017-12-28 US disclosed
WO-2017117447-A1 MULTICYCLIC COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2017-07-06 WO disclosed
WO-2017117447-A1 MULTICYCLIC COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2017-07-06 WO disclosed
WO-2017031204-A1 CYCLOPROPYLDERIVATIVES AND THEIR USE AS KINASE INHIBITORS Karyopharm Therapeutics Inc. (US) 2017-02-23 WO disclosed
WO-2017031204-A1 CYCLOPROPYLDERIVATIVES AND THEIR USE AS KINASE INHIBITORS Karyopharm Therapeutics Inc. (US) 2017-02-23 WO disclosed
WO-2016100515-A1 CYCLIC COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2016-06-23 WO disclosed
WO-2016100515-A1 CYCLIC COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2016-06-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180244660-A1 CYCLOPROPYLDERIVATIVES AND THEIR USE AS KINASE INHIBITORS MALT1, BCL9, IKBKE HDAC3 1528/4885HDAC4 1202/4885HDAC1 859/4885
US-20170369470-A1 Cyclic Compounds and Uses Thereof MALT1, BCL9, BCL6 HDAC3 900/4885HDAC4 386/4885HDAC1 244/4885
US-20190016710-A1 MULTICYCLIC COMPOUNDS AND USES THEREOF MALT1, BCL9, BCL6 HDAC3 1462/4885HDAC4 943/4885HDAC1 1027/4885
US-10858347-B2 Multicyclic compounds and uses thereof MALT1, BCL9, BCL6 HDAC3 1462/4885HDAC4 943/4885HDAC1 1027/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.